SCHEMBL2098396

SCHEMBL2098396

CCN(CC)c1ccc(C(O)C#Cc2ccc(C(=O)O)cc2)cc1C(C)(C)C

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RARB P10826 11/20 0.50
RARG P13631 11/20 0.50
RARA P10276 10/20 0.50
HCAR3 P49019 2/20 0.42
ACACB O00763 1/20 0.36
AKR1C3 P42330 1/20 0.35
AKR1C2 P52895 1/20 0.35
CFTR P13569 2/20 0.35
PTGES O14684 1/20 0.34
ALOX5 P09917 1/20 0.34
RXRA P19793 1/20 0.34
RXRB P28702 1/20 0.34
RXRG P48443 1/20 0.34
HSP90AA1 P07900 1/20 0.33
HSP90AB1 P08238 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL2098914 0.89 RARB (0.44) RARBRARGRARAHCAR3ACACB
SCHEMBL2098114 0.85 RARA (0.39) RARBRARGRARAHCAR3HSP90AA1
SCHEMBL2099560 0.83 HCAR3 (0.43) RARBRARGRARAHCAR3ACACB
SCHEMBL8611723 0.80 THRA (0.42) RARBRARGRARARXRARXRB
SCHEMBL7713101 0.80 RARB (0.52) RARBRARGRARA
SCHEMBL2098706 0.79 CA12 (0.36) RARBRARGRARA
SCHEMBL2098805 0.76 RARB (0.46) RARBRARGRARA
SCHEMBL2098385 0.76 RARA (0.39) RARBRARGRARAHCAR3
SCHEMBL2098928 0.76 RARB (0.42) RARBRARGRARAHCAR3ACACB
SCHEMBL2098929 0.76 RARB (0.42) RARBRARGRARAACACBCFTR

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8163952-B2 RAR receptor agonist ligands and use thereof in human medicine and cosmetics GALDERMA RESEARCH & DEVELOPMENT (FR) 2012-04-24 US claimed
US-20100261754-A1 NOVEL RAR RECEPTOR AGONIST LIGANDS AND USE THEREOF IN HUMAN MEDICINE AND COSMETICS GALDERMA RESEARCH & DEVELOPMENT (FR) 2010-10-14 US claimed
US-8163952-B2 RAR receptor agonist ligands and use thereof in human medicine and cosmetics GALDERMA RESEARCH & DEVELOPMENT (FR) 2012-04-24 US disclosed
US-20100261754-A1 NOVEL RAR RECEPTOR AGONIST LIGANDS AND USE THEREOF IN HUMAN MEDICINE AND COSMETICS GALDERMA RESEARCH & DEVELOPMENT (FR) 2010-10-14 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20100261754-A1 NOVEL RAR RECEPTOR AGONIST LIGANDS AND USE THEREOF IN HUMAN MEDICINE AND COSMETICS RARA, RARB, RARG RARB 2/4885RARG 3/4885RARA 1/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.